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Dimethyl4,4'-(5-hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzoate
SpectraBase Compound ID GdAeM9gcMOL
InChI InChI=1S/C28H27NO6S/c1-4-5-6-7-16-29-25(30)21-22(26(29)31)24(18-10-14-20(15-11-18)28(33)35-3)36-23(21)17-8-12-19(13-9-17)27(32)34-2/h8-15H,4-7,16H2,1-3H3
InChIKey MQYGEAAXIYLULK-UHFFFAOYSA-N
Mol Weight 505.59 g/mol
Molecular Formula C28H27NO6S
Exact Mass 505.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3bsWklMvQg
Name Dimethyl4,4'-(5-hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27NO6S
InChI InChI=1S/C28H27NO6S/c1-4-5-6-7-16-29-25(30)21-22(26(29)31)24(18-10-14-20(15-11-18)28(33)35-3)36-23(21)17-8-12-19(13-9-17)27(32)34-2/h8-15H,4-7,16H2,1-3H3
InChIKey MQYGEAAXIYLULK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400524
Molecular Weight 505.585 g/mol
SMILES C1(=O)c2c(-c3ccc(cc3)C(=O)OC)sc(c2C(=O)N1CCCCCC)-c1ccc(cc1)C(=O)OC
SPLASH splash10-0a4i-9100010000-dcefb5171b1db1121050
Source of Spectrum ASC-356-3761/SM9-3j
Synonyms Dimethyl 4,4'-(5-hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzoate
Wiley ID 1769757